SCHEMBL4183052

SCHEMBL4183052

Cc1cccc(C(=O)C=Cc2cccnc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
PFKFB3 Q16875 1/20 0.57
CYP1A1 P04798 13/20 0.56
CYP1A2 P05177 13/20 0.56
CYP1B1 Q16678 13/20 0.56
CYP3A4 P08684 6/20 0.56
CYP2D6 P10635 6/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 2/20 0.56
JUN P05412 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.52
GALR2 O43603 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23598517 0.84 MAPT (0.59) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL4179749 0.83 CYP1A2 (0.64) USP2PFKFB3CYP1A1CYP1A2CYP1B1
SCHEMBL4189499 0.83 CYP1A1 (0.62) USP2PFKFB3CYP1A1CYP1A2CYP1B1
SCHEMBL4189324 0.80 CYP1A2 (0.47) USP2CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL10275177 0.80 CYP1A1 (0.62) USP2PFKFB3CYP1A1CYP1A2CYP1B1
SCHEMBL10275586 0.79 USP2 (0.60) USP2PFKFB3CYP1A1CYP1A2CYP1B1
SCHEMBL3659102 0.78 RAB9A (0.74) USP2PFKFB3CYP1A1CYP1A2CYP1B1
SCHEMBL4174253 0.78 RAB9A (0.74) USP2PFKFB3CYP1A1CYP1A2CYP1B1
SCHEMBL7368933 0.76 CYP1B1 (0.83) USP2PFKFB3CYP1A1CYP1A2CYP1B1
SCHEMBL979409 0.76 CYP1B1 (0.83) USP2PFKFB3CYP1A1CYP1A2CYP1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215776-A1 Organic compounds REN, RXFP1, MYLK USP2 3412/4885PFKFB3 2852/4885CYP1A1 339/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.